Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM50129368'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50129368 (3-(4-Chloro-phenyl)--8-methyl-8-aza-bicyclo[3.2.1]...) Show SMILES CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)NCCCNC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:16:6:1:4.3,THB:23:25:39:27.28| Show InChI InChI=1S/C33H42Cl2N4O2/c1-38-24-12-14-28(38)30(26(18-24)20-4-8-22(34)9-5-20)32(40)36-16-3-17-37-33(41)31-27(21-6-10-23(35)11-7-21)19-25-13-15-29(31)39(25)2/h4-11,24-31H,3,12-19H2,1-2H3,(H,36,40)(H,37,41)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Compound was tested for inhibition of [125I]-RTI-55 binding to norepinephrine transporter HEK cells				Bioorg Med Chem Lett 13: 2151-4 (2003) BindingDB Entry DOI: 10.7270/Q2DN45K3
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50129368 (3-(4-Chloro-phenyl)--8-methyl-8-aza-bicyclo[3.2.1]...) Show SMILES CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)NCCCNC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:16:6:1:4.3,THB:23:25:39:27.28| Show InChI InChI=1S/C33H42Cl2N4O2/c1-38-24-12-14-28(38)30(26(18-24)20-4-8-22(34)9-5-20)32(40)36-16-3-17-37-33(41)31-27(21-6-10-23(35)11-7-21)19-25-13-15-29(31)39(25)2/h4-11,24-31H,3,12-19H2,1-2H3,(H,36,40)(H,37,41)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	266	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Compound was tested for inhibition of [3H]NE binding to norepinephrine transporter HEK cells				Bioorg Med Chem Lett 13: 2151-4 (2003) BindingDB Entry DOI: 10.7270/Q2DN45K3
					More data for this Ligand-Target Pair